REMARK Name = BDB005259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.410 -1.250 0.805 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.702 -0.237 0.138 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.389 -0.574 0.258 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.962 -0.096 -0.139 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.758 -1.282 0.317 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.013 -2.196 1.099 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.401 -3.170 1.722 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.348 -1.735 0.969 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.579 -2.132 1.355 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.168 -1.313 0.220 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.828 -1.216 -1.022 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.111 -1.270 -2.343 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.233 -1.142 -1.044 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.971 -1.219 0.137 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.313 -1.383 1.350 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.224 -1.496 2.806 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.922 -1.440 1.396 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.392 1.185 0.585 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -1.952 2.297 -0.090 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.209 2.329 -1.571 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -2.357 3.426 0.652 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -2.200 3.474 2.034 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.694 4.872 2.905 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.651 2.396 2.709 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.257 1.265 1.993 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 4.752 -1.460 -0.112 0.00 0.00 +0.228 A ATOM 27 C LIG 1 3.860 -1.340 0.941 0.00 0.00 +0.097 A ATOM 28 C LIG 1 4.445 -1.371 2.191 0.00 0.00 +0.129 A ATOM 29 N LIG 1 5.777 -1.448 2.404 0.00 0.00 -0.243 NA ATOM 30 C LIG 1 6.536 -1.529 1.303 0.00 0.00 +0.225 A ATOM 31 N LIG 1 6.092 -1.535 0.039 0.00 0.00 -0.201 NA BRANCH 26 33 ATOM 32 C LIG 1 5.194 -1.799 -2.394 0.00 0.00 +0.279 C ATOM 33 O LIG 1 4.231 -1.477 -1.395 0.00 0.00 -0.479 OA ENDBRANCH 26 33 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 2.279 0.937 -0.510 0.00 0.00 +0.083 C ATOM 35 C LIG 1 1.986 2.232 0.245 0.00 0.00 +0.030 C ATOM 36 C LIG 1 1.892 1.039 -1.984 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5